4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid

C16H10O5 — CID 67365953

IUPAC4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C16H10O5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20)
InChIKeyCSDZXASRBPOKNC-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.86
Rot. Bonds2

About 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid

4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid (PubChem CID 67365953) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
PubChem CID67365953
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C16H10O5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20)
InChIKeyCSDZXASRBPOKNC-UHFFFAOYSA-N
XLogP2.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 59021643
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898
3-[4-[4-(4-benzylpiperazin-1-yl)butoxy]phenyl]-7-hydroxychromen-4-one
CID 54759747
7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
CID 58402386
6-methoxy-2-(4-methoxyphenyl)chromen-4-one;4-(7-methoxy-4-oxochromen-3-yl)benzoic acid;2-(4-methoxyphenyl)chromen-4-one
CID 167616168
4-(7-hydroxy-4-oxochromen-3-yl)-2-propan-2-ylbenzenesulfonic acid
CID 10872107
7-hydroxy-3-(3-nitrophenyl)chromen-4-one
CID 149499199
Daidzein 7-Sulfate Potassium Salt
CID 169436996

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
The IUPAC name of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid (CID 67365953) is 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid.
What is the SMILES notation for 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
The canonical SMILES for 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid is O=C(O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
The InChIKey is CSDZXASRBPOKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20).
What are the key properties of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid has a molecular weight of 282.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid is sourced from PubChem (CID 67365953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).